Formyl-(phenylalanyl)(6)-phenylalanine methyl ester

Base Information

• Chemical Name: Formyl-(phenylalanyl)(6)-phenylalanine methyl ester
• CAS No.: 91870-20-1
• Molecular Formula: C65H67 N7 O9
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80238723
• Wikidata: Q83120998
• Mol file: 91870-20-1.mol

Synonyms:formyl-(phenylalanyl)(6)-phenylalanine methyl ester;HCO-(Phe)7-OMe

Chemical Property of Formyl-(phenylalanyl)(6)-phenylalanine methyl ester

Chemical Property:

• PSA: 254.43000
• LogP: 10.76380
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 29
• Exact Mass: 1089.50002674
• Heavy Atom Count: 81
• Complexity: 1950

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CC7=CC=CC=C7)NC=O
• Isomeric SMILES: COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@@H](CC6=CC=CC=C6)NC(=O)[C@H](CC7=CC=CC=C7)NC=O